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BDBM50104651 3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane::CHEMBL89735

SMILES: NCCC1COCCC(N)=N1

InChI Key: InChIKey=ZPHRNAHMHZVACD-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50104651   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nitric oxide synthase, brain


(Homo sapiens (Human))
BDBM50104651
PNG
(3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane | CHEMBL8...)
Show SMILES NCCC1COCCC(N)=N1
Show InChI InChI=1S/C7H15N3O/c8-3-1-6-5-11-4-2-7(9)10-6/h6H,1-5,8H2,(H2,9,10)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.39E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of Neuronal nitric oxide synthase


Bioorg Med Chem Lett 11: 2651-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00523-6
BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Homo sapiens (Human))
BDBM50104651
PNG
(3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane | CHEMBL8...)
Show SMILES NCCC1COCCC(N)=N1
Show InChI InChI=1S/C7H15N3O/c8-3-1-6-5-11-4-2-7(9)10-6/h6H,1-5,8H2,(H2,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 6.66E+3n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of inducible nitric oxide synthase


Bioorg Med Chem Lett 11: 2651-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00523-6
BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair
Nitric oxide synthase, endothelial


(Homo sapiens (Human))
BDBM50104651
PNG
(3-(2-Amino-ethyl)-5-imino-[1,4]oxazepane | CHEMBL8...)
Show SMILES NCCC1COCCC(N)=N1
Show InChI InChI=1S/C7H15N3O/c8-3-1-6-5-11-4-2-7(9)10-6/h6H,1-5,8H2,(H2,9,10)
PDB

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.48E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibition of endothelial nitric oxide synthase


Bioorg Med Chem Lett 11: 2651-3 (2001)


Article DOI: 10.1016/s0960-894x(01)00523-6
BindingDB Entry DOI: 10.7270/Q24T6HPK
More data for this
Ligand-Target Pair